SCHEMBL2445002

SCHEMBL2445002

COc1ccc(CC(=O)N2CCC3(CC2)CN(C(=O)OC(C)(C)C)C3)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
MAPT P10636 3/20 0.55
GHSR Q92847 7/20 0.53
CHRM2 P08172 4/20 0.49
GFER P55789 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
HPGD P15428 4/20 0.47
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 2/20 0.47
KMT2A Q03164 1/20 0.47
CYP3A4 P08684 1/20 0.47
HTR2B P41595 1/20 0.47
KCNH2 Q12809 1/20 0.47
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17227458 0.88 SMN1; SMN2 (0.66) SMN1; SMN2MAPTGHSRCHRM2GFER
SCHEMBL2441294 0.84 SMN1; SMN2 (0.68) SMN1; SMN2MAPTGHSRCHRM2GFER
SCHEMBL2445065 0.84 GHSR (0.57) GHSRCHRM2
SCHEMBL19975593 0.82 MAPT (0.78) SMN1; SMN2MAPTGFERL3MBTL1HPGD
SCHEMBL12328016 0.82 GHSR (0.59) SMN1; SMN2MAPTGHSRCHRM2GFER
SCHEMBL21409223 0.80 SMN1; SMN2 (0.53) SMN1; SMN2MAPTHPGDALDH1A1KMT2A
SCHEMBL12299405 0.79 SMN1; SMN2 (0.71) SMN1; SMN2MAPTGHSRCHRM2GFER
Hydrochloric Acid SCHEMBL2431655 0.78 SMN1; SMN2 (0.69) SMN1; SMN2MAPTGHSRCHRM2GFER
SCHEMBL30140916 0.78 OPRK1 (0.51) KMT2A
SCHEMBL485392 0.78 CYP11B2 (0.54) SMN1; SMN2MAPTL3MBTL1HPGDALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2547679-B1 2,3 DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.6]NONANE DERIVATIVES AND THEIR USE AS ANTAGONISTS OR INVERSE AGONISTS OF THE GHRELIN RECEPTOR PFIZER (US) 2015-11-04 EP disclosed
US-20140080756-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5]NONANE DERIVATIVES PFIZER INC. (US) 2014-03-20 US disclosed
US-20140080756-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5]NONANE DERIVATIVES PFIZER INC. (US) 2014-03-20 US disclosed
US-20140080756-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5]NONANE DERIVATIVES PFIZER INC. (US) 2014-03-20 US disclosed
US-8609680-B2 2,3-dihydro-1H-inden-1-yl-2,7-diazaspiro[3.5] nonane derivatives PFIZER INC. (US) 2013-12-17 US disclosed
US-20110230461-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5] NONANE DERIVATIVES PFIZER INC. 2011-09-22 US disclosed
US-20110230461-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5] NONANE DERIVATIVES PFIZER INC. 2011-09-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140080756-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5]NONANE DERIVATIVES GIPR, GLP1R, GHSR SMN1; SMN2 1617/4885MAPT 4349/4885GHSR 3/4885
US-20110230461-A1 2,3-DIHYDRO-1H-INDEN-1-YL-2,7-DIAZASPIRO[3.5] NONANE DERIVATIVES GIPR, GLP1R, GHSR SMN1; SMN2 1839/4885MAPT 4319/4885GHSR 3/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.